CID 1910889

Benzoic acid, 2-[4-(dipentylamino)-2-hydroxybenzoyl]-

Structural Information

Molecular Formula
C24H31NO4
SMILES
CCCCCN(CCCCC)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O
InChI
InChI=1S/C24H31NO4/c1-3-5-9-15-25(16-10-6-4-2)18-13-14-21(22(26)17-18)23(27)19-11-7-8-12-20(19)24(28)29/h7-8,11-14,17,26H,3-6,9-10,15-16H2,1-2H3,(H,28,29)
InChIKey
FHHJEXZQGLHKOT-UHFFFAOYSA-N
Compound name
2-[4-(dipentylamino)-2-hydroxybenzoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

397.2253 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.23258 199.9
[M+Na]+ 420.21452 202.7
[M-H]- 396.21802 204.1
[M+NH4]+ 415.25912 209.6
[M+K]+ 436.18846 198.8
[M+H-H2O]+ 380.22256 190.7
[M+HCOO]- 442.22350 218.4
[M+CH3COO]- 456.23915 227.1
[M+Na-2H]- 418.19997 196.9
[M]+ 397.22475 203.4
[M]- 397.22585 203.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe